Vitas-M small molecule compound

(5Z)-5-{3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxybenzylidene}-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK007761
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Br)c(c(c2)OC)OCCOc2ccc(cc2)C(C)(C)C)/C1=O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H31BrN2O7 MW 623.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN2O7/c1-31(2,3)20-6-10-23(11-7-20)40-14-15-41-27-25(32)17-19(18-26(27)39-5)16-24-28(35)33-30(37)34(29(24)36)21-8-12-22(38-4)13-9-21/h6-13,16-18H,14-15H2,1-5H3,(H,33,35,37)/b24-16-
InChIKey
QRNBTLQTKGBWAS-JLPGSUDCSA-N
Synonyms

(5Z)5((3bromo4(2(4tertbutylphenoxy)ethoxy)5methoxyphenyl)methylidene)1(4methoxyphenyl)13diazinane246trione
(5Z)5(3BROMO4(2(4TERTBUTYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC)OC
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Br)c(c(c2)OC)OCCOc2ccc(cc2)C(C)(C)C)C1=O
InChI=1SC31H31BrN2O7c131(23)2061023(11720)401415412725(32)1719(1826(27)395)162428(35)3330(37)34(29(24)36)2181222(384)13921h6131618H1415H215H3(H333537)b2416
MFCD02017691
STK007761
ZINC000100270783
ZINC100270783

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Available files

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